diethyl (1S,2R,3S,4R)-4-methyl-2-(3-nitrophenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: diethyl (1S,2R,3S,4R)-4-methyl-2-(3-nitrophenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diethyl (1S,2R,3S,4R)-4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2R,3S,4R)-4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2R,3S,4R)-4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2R,3S,4R)-4-hydroxy-6-keto-4-methyl-2-(3-nitrophenyl)cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C19H23NO8 MolecularWeight: 393.38782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H]([C@@H]([C@](CC1=O)(C)O)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H23NO8/c1-4-27-17(22)15-13(21)10-19(3,24)16(18(23)28-5-2)14(15)11-7-6-8-12(9-11)20(25)26/h6-9,14-16,24H,4-5,10H2,1-3H3/t14-,15+,16+,19+/m0/s1